6-chloro-2,3-dihydro-1H-inden-5-amine

C9H10ClN — CID 22400278

IUPAC6-chloro-2,3-dihydro-1H-inden-5-amine
SMILESNc1cc2c(cc1Cl)CCC2
InChIInChI=1S/C9H10ClN/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5H,1-3,11H2
InChIKeyGVNFSQOSVGQWNQ-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.41
Rot. Bonds

About 6-chloro-2,3-dihydro-1H-inden-5-amine

6-chloro-2,3-dihydro-1H-inden-5-amine (PubChem CID 22400278) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1H-inden-5-amine
PubChem CID22400278
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name6-chloro-2,3-dihydro-1H-inden-5-amine
SMILESNc1cc2c(cc1Cl)CCC2
InChIInChI=1S/C9H10ClN/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5H,1-3,11H2
InChIKeyGVNFSQOSVGQWNQ-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-chloro-2,3-dihydro-1H-inden-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 6-chloro-2,3-dihydro-1H-inden-5-amine (CID 22400278) is 6-chloro-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 6-chloro-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 6-chloro-2,3-dihydro-1H-inden-5-amine is Nc1cc2c(cc1Cl)CCC2.
What is the InChIKey of 6-chloro-2,3-dihydro-1H-inden-5-amine?
The InChIKey is GVNFSQOSVGQWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5H,1-3,11H2.
What are the key properties of 6-chloro-2,3-dihydro-1H-inden-5-amine?
6-chloro-2,3-dihydro-1H-inden-5-amine has a molecular weight of 167.64 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 22400278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).